1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane

C23H34F6O — CID 58665405

IUPAC1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C(F)(F)OC3CCC(C=C(F)C(F)(F)F)CC3)CC2)CC1
InChIInChI=1S/C23H34F6O/c1-15-2-6-17(7-3-15)18-8-10-19(11-9-18)23(28,29)30-20-12-4-16(5-13-20)14-21(24)22(25,26)27/h14-20H,2-13H2,1H3
InChIKeyAZTZRWORZPXOFP-UHFFFAOYSA-N
MW440.51 g/mol
LogP8.20
Rot. Bonds5

About 1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane

1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 58665405) has the molecular formula C23H34F6O and a molecular weight of 440.51 g/mol. Its IUPAC name is 1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane
PubChem CID58665405
Molecular FormulaC23H34F6O
Molecular Weight440.51 g/mol
Exact Mass440.25
IUPAC Name1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C(F)(F)OC3CCC(C=C(F)C(F)(F)F)CC3)CC2)CC1
InChIInChI=1S/C23H34F6O/c1-15-2-6-17(7-3-15)18-8-10-19(11-9-18)23(28,29)30-20-12-4-16(5-13-20)14-21(24)22(25,26)27/h14-20H,2-13H2,1H3
InChIKeyAZTZRWORZPXOFP-UHFFFAOYSA-N
XLogP8.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane with MolForge

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Related Compounds

1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane
CID 138493513
1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane
CID 58665476
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 59938742
1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane
CID 142035391
5-[4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]cyclohexyl]-1,2,3-trifluorobenzene
CID 144902461
[(E)-2,3,3,3-tetrafluoroprop-1-enyl]cyclopentane
CID 11480825
1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen
CID 158672949
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane
CID 144642715
1-ethenyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane
CID 54410794
cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane
CID 91094465
5-[difluoro-(4-methylcyclohexyl)methoxy]-1,2,3-trifluorocyclohexane;methane;dihydrate
CID 161347958
1-(2,2-difluoroethenyl)-4-[4-(4-methoxycyclohexyl)cyclohexyl]cyclohexane
CID 130414636

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane (CID 58665405) is 1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane is CC1CCC(C2CCC(C(F)(F)OC3CCC(C=C(F)C(F)(F)F)CC3)CC2)CC1.
What is the InChIKey of 1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is AZTZRWORZPXOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F6O/c1-15-2-6-17(7-3-15)18-8-10-19(11-9-18)23(28,29)30-20-12-4-16(5-13-20)14-21(24)22(25,26)27/h14-20H,2-13H2,1H3.
What are the key properties of 1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane?
1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 440.51 g/mol, XLogP of 8.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 58665405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).